Abstract:
Single polyelectrolyte chains were simulated in the Debye-Huckel approximation. The average end-to-end quadratic distance 〈R2〉 was calculated as a function of the chain length, the ionic strength of the solution and the dimension of space. The upper critical dimension d = 6, for the electrostatic interaction, and the asymptotic stretched behavior are in agreement with recent developments of renormalization group theory. The transition between stretched and coiled conformations is described. Dependence of 〈R2〉/〈R2〉 saw on the dimensionless screening parameter κ1=κa0, for chains with Debye-Hückel potential immersed in a space of dimension d=6. The lines serve only as guides.
Referencias:
- Tricot, M., (1984) Macromolecules, 17, p. 1698
- Witten, T.A., Pincus, P., (1987) Europhys. Lett., 3, p. 315
- Barrat, J.L., Joanny, J.F., (1993) Europhys. Lett., 24, p. 333
- Stevens, M.J., Kremer, K., (1993) Phys. Rev. Lett., 71, p. 2228
- Dobrynin, A.V., Colby, R.H., Rubinstein, M., (1995) Macromolecules, 28, p. 1859
- Witten, T.A., Hao, L., (1995) Macromolecules, 28, p. 5921
- Micka, U., Kremer, K., (1997) Europhys. Lett., 38, p. 279
- Chu, J.C., Mak, C.H., (1999) J. Chem. Phys., 110, p. 2669
- Bouchard, J.P., Mézard, M., Parisi, G., Yedidia, J.S., (1991) J. Phys. A: Math. Gen., 24, pp. L1025
- Netz, R.R., Orland, H., (1999) Eur. Phys. J. B, 8, p. 81
- Skibinska, L., Gapinski, J., Liu, H., Patkowski, A., Fischer, E.W., Pecora, R., (1999) J. Chem. Phys., 110, p. 1794
- Des Cloizeaux, J., Jannink, G., (1990) Polymers in Solution, , Clarendon Press, Oxford
- Freed, K.F., (1969) Renormalization Group Theory of Macromolecules, , Wiley Interscience, New York
- Schäfer, L., (1982) Macromolecules, 15, p. 652
- Schäfer, L., (1984) Macromolecules, 17, p. 1357
- Liverpool, T.B., Stapper, M., (1997) Europhys. Lett., 40, p. 485
- Stapper, M., Liverpool, T.B., submitted; Micka, U., Kremer, K., (1996) Phys. Rev. E., 54, p. 2653
- Oozawa, F., (1971) Polyelectrolytes, , Marcel Dekker, New York
- Manning, G.S., (1969) J. Chem. Phys., 51, p. 954
- Kremer, K., Binder, K., (1988) Comp. Phys. Report, 7, p. 259
- Dünweg, B., Kremer, K., (1993) J. Chem. Phys., 99, p. 9
- Madras, N., Sokal, A.D., (1988) J. Stat. Phys., 50, p. 109
- De Gennes, P.G., (1972) Phys. Lett., 38 A, p. 339
- De Gennes, P.G., (1980) Scaling Concepts in Polymer Physics, , Cornell University Press, Ithaca, NY
- Doi, M., Edwards, S.F., (1986) The Theory of Polymer Dynamics, , Oxford University Press, Oxford
- De Gennes, P.G., Pincus, P., Velasco, R.M., (1976) J. Phys. (France), 37, p. 1461
- Pfeuty, P., (1978) J. Phys. (France), 39 (6 C2), p. 149
- Stevens, M.J., Kremer, K., (1995) J. Chem. Phys., 103, p. 1669
- Arfken, G., (1971) "Mathematical Methods for Physicists", 2nd edition, p. 508. , Academic Press, Orlando, FL
Citas:
---------- APA ----------
Irurzun, I.M. & Matteo, C.L.
(2001)
. Single chain polyelectrolyte conformation 1: Influence of the spatial dimension and ionic strength. Macromolecular Theory and Simulations, 10(4), 237-243.
http://dx.doi.org/10.1002/1521-3919(20010401)10:4<237::AID-MATS237>3.0.CO;2-V---------- CHICAGO ----------
Irurzun, I.M., Matteo, C.L.
"Single chain polyelectrolyte conformation 1: Influence of the spatial dimension and ionic strength"
. Macromolecular Theory and Simulations 10, no. 4
(2001) : 237-243.
http://dx.doi.org/10.1002/1521-3919(20010401)10:4<237::AID-MATS237>3.0.CO;2-V---------- MLA ----------
Irurzun, I.M., Matteo, C.L.
"Single chain polyelectrolyte conformation 1: Influence of the spatial dimension and ionic strength"
. Macromolecular Theory and Simulations, vol. 10, no. 4, 2001, pp. 237-243.
http://dx.doi.org/10.1002/1521-3919(20010401)10:4<237::AID-MATS237>3.0.CO;2-V---------- VANCOUVER ----------
Irurzun, I.M., Matteo, C.L. Single chain polyelectrolyte conformation 1: Influence of the spatial dimension and ionic strength. Macromol. Theory Simul. 2001;10(4):237-243.
http://dx.doi.org/10.1002/1521-3919(20010401)10:4<237::AID-MATS237>3.0.CO;2-V